ethyl 5-azanyl-1-(4-bromanyl-5-phenyl-1H-pyrazol-3-yl)-3-ethanoyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(4-bromanyl-5-phenyl-1H-pyrazol-3-yl)-3-ethanoyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-acetyl-5-amino-1-(4-bromo-5-phenyl-1H-pyrazol-3-yl)pyrazole-4-carboxylate CAS Name: 3-acetyl-5-amino-1-(4-bromo-5-phenyl-1H-pyrazol-3-yl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-acetyl-5-amino-1-(4-bromo-5-phenyl-1H-pyrazol-3-yl)pyrazole-4-carboxylate Traditional Name: 3-acetyl-5-amino-1-(4-bromo-5-phenyl-1H-pyrazol-3-yl)pyrazole-4-carboxylic acid ethyl ester Formula: C17H16BrN5O3 MolecularWeight: 418.24464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C(=O)C)C2=NNC(=C2Br)C3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C(=O)C)C2=NNC(=C2Br)C3=CC=CC=C3)N

InChI

InChI=1S/C17H16BrN5O3/c1-3-26-17(25)11-13(9(2)24)22-23(15(11)19)16-12(18)14(20-21-16)10-7-5-4-6-8-10/h4-8H,3,19H2,1-2H3,(H,20,21)